UCSF

ZINC02516087

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: 4-Bromo-2-nitroanisole 4-Bromo-2-nitroanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33696-00-3 , [33693-00-3] , [33696-00-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 1.45 -8.85 0 4 0 55 232.033 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 85-100? Alfa-Aesar
MP 87-88° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )